2-[21-[[5-Amino-2-[[7-amino-4-[[5-amino-2-[(3-hydroxy-2,4,5-trimethylheptanoyl)amino]pentanoyl]amino]-2,3-dihydroxy-7-oxoheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-3-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 2-[21-[[5-Amino-2-[[7-amino-4-[[5-amino-2-[(3-hydroxy-2,4,5-trimethylheptanoyl)amino]pentanoyl]amino]-2,3-dihydroxy-7-oxoheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-3-yl]acetic acid
• 英文别名: 2-[21-[[5-amino-2-[[7-amino-4-[[5-amino-2-[(3-hydroxy-2,4,5-trimethylheptanoyl)amino]pentanoyl]amino]-2,3-dihydroxy-7-oxoheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-3-yl]acetic acid
• 化学式: C₇₂H₁₂₆N₁₆O₂₃
• 分子量: 1583.9
• InChiKey: UHMXIKFVADXLGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5
• 重原子数：
  111
• 可旋转键数：
  38
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  638
• 氢给体数：
  19
• 氢受体数：
  25